MMsINC Database Search


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MMsINC code: MMs03854353

Type: Neutral
Formula: C₆H₁₂O₆

SMILES:

O1CC(O)C(O)C(O)(CO)C1O

InChI:

InChI=1/C6H12O6/c7-2-6(11)4(9)3(8)1-12-5(6)10/h3-5,7-11H,1-2H2/t3-,4+,5+,6+/m0/s1

Drug Similarity | Similarity to PDB ligands


download 2D Mol File	download 3D Mol File Potential Energy Epot(MMFF94)=58.1933 kcal/mol

Physical Properties
Molecular Weight: 180.156 g/mol	logS: 1.24995	SlogP: -3.2198	Reactive groups: 0

Topological Properties
Globularity: 0.226433	Sterimol/B1: 2.79116	Sterimol/B2: 3.09839	Sterimol/B3: 3.35878
Sterimol/B4: 5.24938	Sterimol/L: 10.337

Surface and Volume Properties
Accessible surface: 336.998	Positive charged surface: 262.636	Negative charged surface: 74.3622	Volume: 148.75
Hydrophobic surface: 118.572	Hydrophilic surface: 218.426

Pharmacophoric Properties
Hydrogen bond donors: 5	Hydrogen bond acceptors: 6	Acid groups: 0	Basic groups: 0
Chiral centers: 4

Drug- and Lead-like Properties
Lipinski's drug-like rule: 1	Violations of Lipinski's rule: 0	Oprea's lead like rule: 1

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Ions/Tautomers related molecules: no related molecules available.